Detailed information for compound 17829

Basic information

Technical information
  • TDR Targets ID: 17829
  • Name: 4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)benzene sulfonamide
  • MW: 330.425 | Formula: C16H14N2O2S2
  • H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1sc(c(n1)c1ccccc1)c1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C16H14N2O2S2/c1-11-18-15(12-5-3-2-4-6-12)16(21-11)13-7-9-14(10-8-13)22(17,19)20/h2-10H,1H3,(H2,17,19,20)
  • InChiKey: CVPSIMWFHZLLEZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-methyl-4-phenyl-thiazol-5-yl)benzenesulfonamide
  • 4-(2-methyl-4-phenyl-5-thiazolyl)benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis jun protein 0.0459 0.5366 0.5
Onchocerca volvulus 0.036 0.3302 0.5
Loa Loa (eye worm) hypothetical protein 0.068 1 1
Brugia malayi hypothetical protein 0.036 0.3302 0.3302
Echinococcus granulosus jun protein 0.0459 0.5366 0.5
Loa Loa (eye worm) hypoxia-induced factor 1 0.0627 0.8896 0.7747
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0459 0.5366 0.5
Schistosoma mansoni jun-related protein 0.0373 0.3565 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0459 0.5366 0.5
Brugia malayi hypoxia-induced factor 1 0.0627 0.8896 0.8896
Schistosoma mansoni hypothetical protein 0.0373 0.3565 1
Brugia malayi bZIP transcription factor family protein 0.0459 0.5366 0.5366

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.038 uM Compound was evaluated in vitro for its inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) ChEMBL. 10328307
IC50 (binding) = 0.038 uM Compound was evaluated in vitro for its inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) ChEMBL. 10328307
IC50 (binding) = 34 uM Inhibition of human Prostaglandin G/H synthase 1 ChEMBL. 10328307
IC50 (binding) = 34 uM Inhibition of human Prostaglandin G/H synthase 1 ChEMBL. 10328307
Inhibition (functional) = 59 % In vivo activity was determined by rat pouch assay at concentration of 2 mg/kg ChEMBL. 10328307

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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